Re: [ccp4bb] Can ALF3OH mimic the transition state?

2023-12-11 Thread Matthew BOWLER
Dear Jinyu, we observed exactly this in PGK - see https://doi.org/10.1021/ja100974t where we confirmed it by both crystallography and 19F NMR In fact ALF3 does not exist as a trigonal bipyramid - all cases where this geometry is observed are likely MgF3 that does adopt this geometry and will

[ccp4bb] Can ALF3OH mimic the transition state?

2023-12-11 Thread Friday
Dear CCP4 community, I recently tried to use AlF3 to mimic the transition of an enzyme. In all the publications I can find, when mimicking the 3rd phosphate of the transition state, the AlF3 forms a trigonal bipyramid coordination, and the G(A)DP oxygen to the AL is about equal distance to that f

[ccp4bb] Faculty Positions at UTMB Galveston

2023-12-11 Thread White, Mark
Biology Faculty Opportunities Assistant Professor of Biochemistry and Molecular Biology in Computational Systems Biology and Structural Biology University of Texas Medical Branch - Galveston, Texas Computational Systems Biology – Faculty Opportunity: UTMB Health is seeking junior faculty can

[ccp4bb] Call for interesting PAIREF cases for demonstration during the CCP4SW 2024

2023-12-11 Thread Kolenko, Petr
Dear users of PAIREF, There will be an in-person (4th January, 13:00 UK time) and also an online (3rd January, 16:30 UK time) lunchtime byte session for PAIREF during the CCP4 Study Weekend 2024. PAIREF is a program providing the estimation of optimal high-resolution cutoff. We would like to enc